5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine

C22H29N5 — CID 69294563

IUPAC5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine
SMILESNCCCC(Cc1nc2ccccc2[nH]1)NC1CCCCc2cccnc21
InChIInChI=1S/C22H29N5/c23-13-5-9-17(15-21-26-18-10-3-4-11-19(18)27-21)25-20-12-2-1-7-16-8-6-14-24-22(16)20/h3-4,6,8,10-11,14,17,20,25H,1-2,5,7,9,12-13,15,23H2,(H,26,27)
InChIKeyWHGDITMBYZNGFN-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.67
Rot. Bonds7

About 5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine

5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine (PubChem CID 69294563) 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-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine
PubChem CID69294563
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine
SMILESNCCCC(Cc1nc2ccccc2[nH]1)NC1CCCCc2cccnc21
InChIInChI=1S/C22H29N5/c23-13-5-9-17(15-21-26-18-10-3-4-11-19(18)27-21)25-20-12-2-1-7-16-8-6-14-24-22(16)20/h3-4,6,8,10-11,14,17,20,25H,1-2,5,7,9,12-13,15,23H2,(H,26,27)
InChIKeyWHGDITMBYZNGFN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine
CID 69294009
5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine
CID 67434748
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
5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine
CID 67432068
1-N-(1H-benzimidazol-2-ylmethyl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]cyclohexane-1,4-diamine
CID 91561552
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;trihydrochloride
CID 138756132
N-(1H-benzimidazol-2-ylmethyl)-2-methylidene-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 10193750
(Z)-N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine
CID 59694180
N-(1H-benzimidazol-2-ylmethyl)-N-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 68973686
N'-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 69177603
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine (CID 69294563) is 5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine is NCCCC(Cc1nc2ccccc2[nH]1)NC1CCCCc2cccnc21.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine?
The InChIKey is WHGDITMBYZNGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c23-13-5-9-17(15-21-26-18-10-3-4-11-19(18)27-21)25-20-12-2-1-7-16-8-6-14-24-22(16)20/h3-4,6,8,10-11,14,17,20,25H,1-2,5,7,9,12-13,15,23H2,(H,26,27).
What are the key properties of 5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine?
5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine has a molecular weight of 363.51 g/mol, XLogP of 3.67, 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-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine is sourced from PubChem (CID 69294563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).