(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone

C14H17N3O — CID 110469012

IUPAC(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
SMILESCn1c(C(=O)N2CCCCC2)nc2ccccc21
InChIInChI=1S/C14H17N3O/c1-16-12-8-4-3-7-11(12)15-13(16)14(18)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyZNPUQJMFCIQXKV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.20
Rot. Bonds1

About (1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone

(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone (PubChem CID 110469012) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
PubChem CID110469012
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
SMILESCn1c(C(=O)N2CCCCC2)nc2ccccc21
InChIInChI=1S/C14H17N3O/c1-16-12-8-4-3-7-11(12)15-13(16)14(18)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyZNPUQJMFCIQXKV-UHFFFAOYSA-N
XLogP2.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride
CID 154900788
(E)-3-cyclohexyl-1-(1-methylbenzimidazol-2-yl)prop-2-en-1-one
CID 23643238
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
[3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367
3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one
CID 46364975
2-(azepane-1-carbonyl)-[1,3]thiazino[3,2-a]benzimidazol-4-one
CID 46326124
[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone
CID 10273200
(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone
CID 74890600

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone (CID 110469012) is (1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone is Cn1c(C(=O)N2CCCCC2)nc2ccccc21.
What is the InChIKey of (1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone?
The InChIKey is ZNPUQJMFCIQXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-12-8-4-3-7-11(12)15-13(16)14(18)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of (1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone?
(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone has a molecular weight of 243.31 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 110469012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).