5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine

C22H29N5 — CID 67434748

IUPAC5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine
SMILESCC(c1nc2ccccc2[nH]1)C(CCCN)N[C@H]1CCCc2cccnc21
InChIInChI=1S/C22H29N5/c1-15(22-26-18-9-2-3-10-19(18)27-22)17(12-5-13-23)25-20-11-4-7-16-8-6-14-24-21(16)20/h2-3,6,8-10,14-15,17,20,25H,4-5,7,11-13,23H2,1H3,(H,26,27)/t15?,17?,20-/m0/s1
InChIKeyXPPQEWFEKJAUEU-LAGYLCCXSA-N
MW363.51 g/mol
LogP3.84
Rot. Bonds7

About 5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine

5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine (PubChem CID 67434748) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine
PubChem CID67434748
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine
SMILESCC(c1nc2ccccc2[nH]1)C(CCCN)N[C@H]1CCCc2cccnc21
InChIInChI=1S/C22H29N5/c1-15(22-26-18-9-2-3-10-19(18)27-22)17(12-5-13-23)25-20-11-4-7-16-8-6-14-24-21(16)20/h2-3,6,8-10,14-15,17,20,25H,4-5,7,11-13,23H2,1H3,(H,26,27)/t15?,17?,20-/m0/s1
InChIKeyXPPQEWFEKJAUEU-LAGYLCCXSA-N
XLogP3.84
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine
CID 69294563
5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine
CID 67817507
5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine
CID 67817161
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;trihydrochloride
CID 138756132
N'-[1-(1H-benzimidazol-2-yl)-2-(2-trimethylsilylethoxy)ethyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 91358046
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
1-N-(1H-benzimidazol-2-ylmethyl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]cyclohexane-1,4-diamine
CID 91561552
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
N-[1-(1H-benzimidazol-2-yl)ethyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 54037814
5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine
CID 69294009
N'-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;methane
CID 160548314
1-N,1-N-dimethyl-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,2-diamine
CID 82944895

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine (CID 67434748) is 5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine is CC(c1nc2ccccc2[nH]1)C(CCCN)N[C@H]1CCCc2cccnc21.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine?
The InChIKey is XPPQEWFEKJAUEU-LAGYLCCXSA-N. The full InChI is InChI=1S/C22H29N5/c1-15(22-26-18-9-2-3-10-19(18)27-22)17(12-5-13-23)25-20-11-4-7-16-8-6-14-24-21(16)20/h2-3,6,8-10,14-15,17,20,25H,4-5,7,11-13,23H2,1H3,(H,26,27)/t15?,17?,20-/m0/s1.
What are the key properties of 5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine?
5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine has a molecular weight of 363.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine is sourced from PubChem (CID 67434748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).