N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide

C26H26N4O2 — CID 59679963

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)ccc1CN1CCCC1
InChIInChI=1S/C26H26N4O2/c1-32-24-16-18(12-13-19(24)17-30-14-6-7-15-30)26(31)29-21-9-3-2-8-20(21)25-27-22-10-4-5-11-23(22)28-25/h2-5,8-13,16H,6-7,14-15,17H2,1H3,(H,27,28)(H,29,31)
InChIKeyRYNNIFFONWULHS-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.09
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 59679963) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID59679963
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)ccc1CN1CCCC1
InChIInChI=1S/C26H26N4O2/c1-32-24-16-18(12-13-19(24)17-30-14-6-7-15-30)26(31)29-21-9-3-2-8-20(21)25-27-22-10-4-5-11-23(22)28-25/h2-5,8-13,16H,6-7,14-15,17H2,1H3,(H,27,28)(H,29,31)
InChIKeyRYNNIFFONWULHS-UHFFFAOYSA-N
XLogP5.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide
CID 59679856
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 134059402
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 70914499
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
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
4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide
CID 59680058
3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59680411
N-[7-(1H-benzimidazol-2-yl)-3H-azepin-2-yl]-3,4-dimethoxybenzamide
CID 143409158
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 60527286
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide
CID 5159784
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide
CID 739930

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide (CID 59679963) is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide is COc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)ccc1CN1CCCC1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is RYNNIFFONWULHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-32-24-16-18(12-13-19(24)17-30-14-6-7-15-30)26(31)29-21-9-3-2-8-20(21)25-27-22-10-4-5-11-23(22)28-25/h2-5,8-13,16H,6-7,14-15,17H2,1H3,(H,27,28)(H,29,31).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 426.52 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 59679963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).