N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide

C19H28N4O — CID 53207693

IUPACN-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCC1)n2C(C)C
InChIInChI=1S/C19H28N4O/c1-4-7-19(24)20-15-8-9-17-16(12-15)21-18(23(17)14(2)3)13-22-10-5-6-11-22/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,24)
InChIKeyPGLGLLGOKBISDR-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.95
Rot. Bonds6

About N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide

N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide (PubChem CID 53207693) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
PubChem CID53207693
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCC1)n2C(C)C
InChIInChI=1S/C19H28N4O/c1-4-7-19(24)20-15-8-9-17-16(12-15)21-18(23(17)14(2)3)13-22-10-5-6-11-22/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,24)
InChIKeyPGLGLLGOKBISDR-UHFFFAOYSA-N
XLogP3.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 50745125
4-fluoro-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 50745138
4-fluoro-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 53207572
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53207578
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53003175
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 17236094
N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147

Frequently Asked Questions

What is the IUPAC name of N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide?
The IUPAC name of N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide (CID 53207693) is N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide.
What is the SMILES notation for N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide?
The canonical SMILES for N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCC1)n2C(C)C.
What is the InChIKey of N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide?
The InChIKey is PGLGLLGOKBISDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-7-19(24)20-15-8-9-17-16(12-15)21-18(23(17)14(2)3)13-22-10-5-6-11-22/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,24).
What are the key properties of N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide?
N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide has a molecular weight of 328.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide is sourced from PubChem (CID 53207693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).