4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide

C17H25N5O — CID 75438563

IUPAC4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCCn1c(CN2CCN(C(=O)N(C)C)CC2)nc2ccccc21
InChIInChI=1S/C17H25N5O/c1-4-22-15-8-6-5-7-14(15)18-16(22)13-20-9-11-21(12-10-20)17(23)19(2)3/h5-8H,4,9-13H2,1-3H3
InChIKeyLLQMMRIZKHSGIL-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.86
Rot. Bonds3

About 4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide

4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 75438563) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID75438563
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCCn1c(CN2CCN(C(=O)N(C)C)CC2)nc2ccccc21
InChIInChI=1S/C17H25N5O/c1-4-22-15-8-6-5-7-14(15)18-16(22)13-20-9-11-21(12-10-20)17(23)19(2)3/h5-8H,4,9-13H2,1-3H3
InChIKeyLLQMMRIZKHSGIL-UHFFFAOYSA-N
XLogP1.86
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1-ethylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 77088299
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124515974
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124805524
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 124820717
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 124914079
1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 50822466
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
1-ethyl-N,N-dimethyl-2-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzimidazole-5-carboxamide
CID 50823978
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide (CID 75438563) is 4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide is CCn1c(CN2CCN(C(=O)N(C)C)CC2)nc2ccccc21.
What is the InChIKey of 4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is LLQMMRIZKHSGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-22-15-8-6-5-7-14(15)18-16(22)13-20-9-11-21(12-10-20)17(23)19(2)3/h5-8H,4,9-13H2,1-3H3.
What are the key properties of 4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 75438563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).