3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide

C26H31N5O2 — CID 143408688

IUPAC3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCN/C=C\C=C1/CN=C(c2ccccc2NC(=O)c2ccc(CN3CCCC3)c(OC)c2)N1
InChIInChI=1S/C26H31N5O2/c1-27-13-7-8-21-17-28-25(29-21)22-9-3-4-10-23(22)30-26(32)19-11-12-20(24(16-19)33-2)18-31-14-5-6-15-31/h3-4,7-13,16,27H,5-6,14-15,17-18H2,1-2H3,(H,28,29)(H,30,32)/b13-7-,21-8+
InChIKeyOUFTTXYCKWXYEM-RPRRLJFESA-N
MW445.57 g/mol
LogP3.51
Rot. Bonds8

About 3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide

3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 143408688) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID143408688
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCN/C=C\C=C1/CN=C(c2ccccc2NC(=O)c2ccc(CN3CCCC3)c(OC)c2)N1
InChIInChI=1S/C26H31N5O2/c1-27-13-7-8-21-17-28-25(29-21)22-9-3-4-10-23(22)30-26(32)19-11-12-20(24(16-19)33-2)18-31-14-5-6-15-31/h3-4,7-13,16,27H,5-6,14-15,17-18H2,1-2H3,(H,28,29)(H,30,32)/b13-7-,21-8+
InChIKeyOUFTTXYCKWXYEM-RPRRLJFESA-N
XLogP3.51
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide with MolForge

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide
CID 59679963
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide
CID 59679856
3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59680411
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
N-[2-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]phenyl]-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 12052640
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560740
4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide
CID 59680058
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 41438486
4-methoxy-N-[3-[3-[[4-methoxy-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide;molecular hydrogen
CID 153331960

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 143408688) is 3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide is CN/C=C\C=C1/CN=C(c2ccccc2NC(=O)c2ccc(CN3CCCC3)c(OC)c2)N1.
What is the InChIKey of 3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is OUFTTXYCKWXYEM-RPRRLJFESA-N. The full InChI is InChI=1S/C26H31N5O2/c1-27-13-7-8-21-17-28-25(29-21)22-9-3-4-10-23(22)30-26(32)19-11-12-20(24(16-19)33-2)18-31-14-5-6-15-31/h3-4,7-13,16,27H,5-6,14-15,17-18H2,1-2H3,(H,28,29)(H,30,32)/b13-7-,21-8+.
What are the key properties of 3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 445.57 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(5E)-5-[(Z)-3-(methylamino)prop-2-enylidene]-1,4-dihydroimidazol-2-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 143408688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).