[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C20H25ClN4O — CID 71201876

IUPAC[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESNCC1(c2cccc(Cl)c2)CCC(C(=O)N2CCc3nc[nH]c3C2)CC1
InChIInChI=1S/C20H25ClN4O/c21-16-3-1-2-15(10-16)20(12-22)7-4-14(5-8-20)19(26)25-9-6-17-18(11-25)24-13-23-17/h1-3,10,13-14H,4-9,11-12,22H2,(H,23,24)
InChIKeyNDPWZQUHPIZJQJ-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.03
Rot. Bonds3

About [4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 71201876) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is [4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID71201876
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESNCC1(c2cccc(Cl)c2)CCC(C(=O)N2CCc3nc[nH]c3C2)CC1
InChIInChI=1S/C20H25ClN4O/c21-16-3-1-2-15(10-16)20(12-22)7-4-14(5-8-20)19(26)25-9-6-17-18(11-25)24-13-23-17/h1-3,10,13-14H,4-9,11-12,22H2,(H,23,24)
InChIKeyNDPWZQUHPIZJQJ-UHFFFAOYSA-N
XLogP3.03
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 90639970
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 70295852
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone
CID 158880241
(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835
3-[7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 71184591
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
CID 71184478
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
cyclohexylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 20803093
[1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 72840488
[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 97437981

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 71201876) is [4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is NCC1(c2cccc(Cl)c2)CCC(C(=O)N2CCc3nc[nH]c3C2)CC1.
What is the InChIKey of [4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is NDPWZQUHPIZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c21-16-3-1-2-15(10-16)20(12-22)7-4-14(5-8-20)19(26)25-9-6-17-18(11-25)24-13-23-17/h1-3,10,13-14H,4-9,11-12,22H2,(H,23,24).
What are the key properties of [4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 372.90 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 71201876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).