[6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C22H27N5O — CID 133346042

IUPAC[6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N(C)Cc3nc4ccccc4n3C)nc2)CC1
InChIInChI=1S/C22H27N5O/c1-16-10-12-27(13-11-16)22(28)17-8-9-20(23-14-17)25(2)15-21-24-18-6-4-5-7-19(18)26(21)3/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyXXQVIODZIIBCGQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.48
Rot. Bonds4

About [6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 133346042) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is [6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID133346042
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name[6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N(C)Cc3nc4ccccc4n3C)nc2)CC1
InChIInChI=1S/C22H27N5O/c1-16-10-12-27(13-11-16)22(28)17-8-9-20(23-14-17)25(2)15-21-24-18-6-4-5-7-19(18)26(21)3/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyXXQVIODZIIBCGQ-UHFFFAOYSA-N
XLogP3.48
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 126817379
6-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 133346066
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45229742
1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone
CID 139010189
(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone
CID 110681807
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 48679733
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56754313

Frequently Asked Questions

What is the IUPAC name of [6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 133346042) is [6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(N(C)Cc3nc4ccccc4n3C)nc2)CC1.
What is the InChIKey of [6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XXQVIODZIIBCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-10-12-27(13-11-16)22(28)17-8-9-20(23-14-17)25(2)15-21-24-18-6-4-5-7-19(18)26(21)3/h4-9,14,16H,10-13,15H2,1-3H3.
What are the key properties of [6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 133346042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).