N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

C19H26N4O2 — CID 46270443

IUPACN-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCCCCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)C1CC1)n2C
InChIInChI=1S/C19H26N4O2/c1-3-4-5-18(24)21-14-8-9-16-15(12-14)22-17(23(16)2)10-11-20-19(25)13-6-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyPPZSSTOBMMBWBS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.77
Rot. Bonds8

About N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 46270443) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID46270443
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCCCCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)C1CC1)n2C
InChIInChI=1S/C19H26N4O2/c1-3-4-5-18(24)21-14-8-9-16-15(12-14)22-17(23(16)2)10-11-20-19(25)13-6-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyPPZSSTOBMMBWBS-UHFFFAOYSA-N
XLogP2.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.77
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-[1-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270460
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]pentanamide
CID 17218670
N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]pentanamide
CID 17244491
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide
CID 4972904
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
CID 4890018
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-pyridin-4-ylbutanamide
CID 46964209
N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide
CID 7011906
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (CID 46270443) is N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is CCCCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)C1CC1)n2C.
What is the InChIKey of N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is PPZSSTOBMMBWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-4-5-18(24)21-14-8-9-16-15(12-14)22-17(23(16)2)10-11-20-19(25)13-6-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46270443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).