[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone

C19H19ClN4O — CID 128903538

IUPAC[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1Cl)N1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H19ClN4O/c20-15-12-21-8-5-14(15)19(25)24-9-6-13(7-10-24)11-18-22-16-3-1-2-4-17(16)23-18/h1-5,8,12-13H,6-7,9-11H2,(H,22,23)
InChIKeyIDXFCANTPJKPHT-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.71
Rot. Bonds3

About [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone

[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone (PubChem CID 128903538) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
PubChem CID128903538
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1Cl)N1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H19ClN4O/c20-15-12-21-8-5-14(15)19(25)24-9-6-13(7-10-24)11-18-22-16-3-1-2-4-17(16)23-18/h1-5,8,12-13H,6-7,9-11H2,(H,22,23)
InChIKeyIDXFCANTPJKPHT-UHFFFAOYSA-N
XLogP3.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
cis-(1R,2S)-2-[4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167744160
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 86806429
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 136548898
1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77135123
(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402073
4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 18378994
(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225158
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone
CID 166211275
(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086545
N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 56710846

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone (CID 128903538) is [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone is O=C(c1ccncc1Cl)N1CCC(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The InChIKey is IDXFCANTPJKPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-15-12-21-8-5-14(15)19(25)24-9-6-13(7-10-24)11-18-22-16-3-1-2-4-17(16)23-18/h1-5,8,12-13H,6-7,9-11H2,(H,22,23).
What are the key properties of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone has a molecular weight of 354.84 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 128903538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).