3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine

C22H29N5 — CID 68906970

IUPAC3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine
SMILESCc1cccc2[nH]c(-c3ccc(C(CCN)C4CCN(C)CC4)nc3)nc12
InChIInChI=1S/C22H29N5/c1-15-4-3-5-20-21(15)26-22(25-20)17-6-7-19(24-14-17)18(8-11-23)16-9-12-27(2)13-10-16/h3-7,14,16,18H,8-13,23H2,1-2H3,(H,25,26)
InChIKeyKZOXNRLNQNMOKY-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.71
Rot. Bonds5

About 3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine

3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine (PubChem CID 68906970) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine
PubChem CID68906970
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine
SMILESCc1cccc2[nH]c(-c3ccc(C(CCN)C4CCN(C)CC4)nc3)nc12
InChIInChI=1S/C22H29N5/c1-15-4-3-5-20-21(15)26-22(25-20)17-6-7-19(24-14-17)18(8-11-23)16-9-12-27(2)13-10-16/h3-7,14,16,18H,8-13,23H2,1-2H3,(H,25,26)
InChIKeyKZOXNRLNQNMOKY-UHFFFAOYSA-N
XLogP3.71
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine
CID 68657960
5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine
CID 24752045
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
4-[2-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526493
2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenyl]ethanamine
CID 165428200
4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 103597254
2-[3-chloro-4-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]phenyl]-4-methyl-1H-benzimidazole
CID 59812222
N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44530774
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine
CID 44524672
[4-[5-amino-6-(4-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 154700390
(S)-(1-methylpiperidin-4-yl)-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]methanol
CID 137257170

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine?
The IUPAC name of 3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine (CID 68906970) is 3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine.
What is the SMILES notation for 3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine?
The canonical SMILES for 3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine is Cc1cccc2[nH]c(-c3ccc(C(CCN)C4CCN(C)CC4)nc3)nc12.
What is the InChIKey of 3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine?
The InChIKey is KZOXNRLNQNMOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-15-4-3-5-20-21(15)26-22(25-20)17-6-7-19(24-14-17)18(8-11-23)16-9-12-27(2)13-10-16/h3-7,14,16,18H,8-13,23H2,1-2H3,(H,25,26).
What are the key properties of 3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine?
3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine has a molecular weight of 363.51 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-amine is sourced from PubChem (CID 68906970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).