1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one

C20H24N4O — CID 175081481

IUPAC1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)n(CC3CCC(N)CC3)c3ccccc32)cn1
InChIInChI=1S/C20H24N4O/c1-14-6-11-17(12-22-14)24-19-5-3-2-4-18(19)23(20(24)25)13-15-7-9-16(21)10-8-15/h2-6,11-12,15-16H,7-10,13,21H2,1H3
InChIKeyWAESBKQNHYFXLC-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.01
Rot. Bonds3

About 1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one

1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one (PubChem CID 175081481) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one
PubChem CID175081481
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)n(CC3CCC(N)CC3)c3ccccc32)cn1
InChIInChI=1S/C20H24N4O/c1-14-6-11-17(12-22-14)24-19-5-3-2-4-18(19)23(20(24)25)13-15-7-9-16(21)10-8-15/h2-6,11-12,15-16H,7-10,13,21H2,1H3
InChIKeyWAESBKQNHYFXLC-UHFFFAOYSA-N
XLogP3.01
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 6603998
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CID 10517019
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CID 10660479
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CID 10852828
CID 10852828
CID 44240743
CID 44240743
CID 44297048
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CID 44611609
CID 44611609

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one?
The IUPAC name of 1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one (CID 175081481) is 1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one.
What is the SMILES notation for 1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one?
The canonical SMILES for 1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one is Cc1ccc(-n2c(=O)n(CC3CCC(N)CC3)c3ccccc32)cn1.
What is the InChIKey of 1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one?
The InChIKey is WAESBKQNHYFXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-6-11-17(12-22-14)24-19-5-3-2-4-18(19)23(20(24)25)13-15-7-9-16(21)10-8-15/h2-6,11-12,15-16H,7-10,13,21H2,1H3.
What are the key properties of 1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one?
1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one is sourced from PubChem (CID 175081481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).