N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide

C20H22N4O2 — CID 26444000

IUPACN-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-15-23-17-9-5-6-10-18(17)24(15)14-13-21-19(25)11-12-22-20(26)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,21,25)(H,22,26)
InChIKeyNDJDYTIDCXONEB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.28
Rot. Bonds7

About N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide

N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide (PubChem CID 26444000) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
PubChem CID26444000
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-15-23-17-9-5-6-10-18(17)24(15)14-13-21-19(25)11-12-22-20(26)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,21,25)(H,22,26)
InChIKeyNDJDYTIDCXONEB-UHFFFAOYSA-N
XLogP2.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51221826
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 40716506
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18120811
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide
CID 111353072
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111353071

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide (CID 26444000) is N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide is Cc1nc2ccccc2n1CCNC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is NDJDYTIDCXONEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-23-17-9-5-6-10-18(17)24(15)14-13-21-19(25)11-12-22-20(26)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide?
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 26444000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).