N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide

C21H29N3O3 — CID 91603251

IUPACN-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide
SMILESCCCC(C(=O)NCC1CC1)n1c(C(=O)C(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C21H29N3O3/c1-5-6-17(21(26)22-12-14-7-8-14)24-18-11-15(27-4)9-10-16(18)23-20(24)19(25)13(2)3/h9-11,13-14,17H,5-8,12H2,1-4H3,(H,22,26)
InChIKeyMAFYZUFWRVWCRH-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.75
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide

N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide (PubChem CID 91603251) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide
PubChem CID91603251
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide
SMILESCCCC(C(=O)NCC1CC1)n1c(C(=O)C(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C21H29N3O3/c1-5-6-17(21(26)22-12-14-7-8-14)24-18-11-15(27-4)9-10-16(18)23-20(24)19(25)13(2)3/h9-11,13-14,17H,5-8,12H2,1-4H3,(H,22,26)
InChIKeyMAFYZUFWRVWCRH-UHFFFAOYSA-N
XLogP3.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide (CID 91603251) is N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide is CCCC(C(=O)NCC1CC1)n1c(C(=O)C(C)C)nc2ccc(OC)cc21.
What is the InChIKey of N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide?
The InChIKey is MAFYZUFWRVWCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-5-6-17(21(26)22-12-14-7-8-14)24-18-11-15(27-4)9-10-16(18)23-20(24)19(25)13(2)3/h9-11,13-14,17H,5-8,12H2,1-4H3,(H,22,26).
What are the key properties of N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide?
N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide has a molecular weight of 371.48 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide is sourced from PubChem (CID 91603251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).