N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide

C23H26N4O2 — CID 46270360

IUPACN-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
SMILESCn1c(CCNC(=O)C2CCCC2)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C23H26N4O2/c1-27-20-12-11-18(25-23(29)17-7-3-2-4-8-17)15-19(20)26-21(27)13-14-24-22(28)16-9-5-6-10-16/h2-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyUVCVKAIGKAMGAT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.67
Rot. Bonds6

About N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide

N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide (PubChem CID 46270360) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
PubChem CID46270360
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
SMILESCn1c(CCNC(=O)C2CCCC2)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C23H26N4O2/c1-27-20-12-11-18(25-23(29)17-7-3-2-4-8-17)15-19(20)26-21(27)13-14-24-22(28)16-9-5-6-10-16/h2-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyUVCVKAIGKAMGAT-UHFFFAOYSA-N
XLogP3.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-acetamido-1-methylbenzimidazol-2-yl)ethyl]cyclopentanecarboxamide
CID 46270354
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270443
N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide
CID 17235960
N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17244499
N-[2-[1-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270460
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218678
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
CID 4890018
N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide?
The IUPAC name of N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide (CID 46270360) is N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide?
The canonical SMILES for N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide is Cn1c(CCNC(=O)C2CCCC2)nc2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide?
The InChIKey is UVCVKAIGKAMGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27-20-12-11-18(25-23(29)17-7-3-2-4-8-17)15-19(20)26-21(27)13-14-24-22(28)16-9-5-6-10-16/h2-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide?
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide is sourced from PubChem (CID 46270360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).