N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide

C20H23N5O2 — CID 4890018

IUPACN-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nc2cc(NC(=O)Nc3ccccc3)ccc2n1C
InChIInChI=1S/C20H23N5O2/c1-3-19(26)21-12-11-18-24-16-13-15(9-10-17(16)25(18)2)23-20(27)22-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,21,26)(H2,22,23,27)
InChIKeyUOLJSWBCJIDUEY-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.29
Rot. Bonds6

About N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide

N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide (PubChem CID 4890018) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
PubChem CID4890018
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nc2cc(NC(=O)Nc3ccccc3)ccc2n1C
InChIInChI=1S/C20H23N5O2/c1-3-19(26)21-12-11-18-24-16-13-15(9-10-17(16)25(18)2)23-20(27)22-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,21,26)(H2,22,23,27)
InChIKeyUOLJSWBCJIDUEY-UHFFFAOYSA-N
XLogP3.29
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
CID 4895369
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4886323
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
CID 4886719
N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270443
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360
1-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4902774
N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide (CID 4890018) is N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NCCc1nc2cc(NC(=O)Nc3ccccc3)ccc2n1C.
What is the InChIKey of N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is UOLJSWBCJIDUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-19(26)21-12-11-18-24-16-13-15(9-10-17(16)25(18)2)23-20(27)22-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,21,26)(H2,22,23,27).
What are the key properties of N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide?
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 365.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 4890018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).