5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine

C19H26N6 — CID 69294009

IUPAC5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine
SMILESNCCCC(Cc1nc2ccccc2[nH]1)NC1CCCc2[nH]cnc21
InChIInChI=1S/C19H26N6/c20-10-4-5-13(11-18-24-14-6-1-2-7-15(14)25-18)23-17-9-3-8-16-19(17)22-12-21-16/h1-2,6-7,12-13,17,23H,3-5,8-11,20H2,(H,21,22)(H,24,25)
InChIKeyLCAKKBUEUJCVQI-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.60
Rot. Bonds7

About 5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine

5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine (PubChem CID 69294009) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine
PubChem CID69294009
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine
SMILESNCCCC(Cc1nc2ccccc2[nH]1)NC1CCCc2[nH]cnc21
InChIInChI=1S/C19H26N6/c20-10-4-5-13(11-18-24-14-6-1-2-7-15(14)25-18)23-17-9-3-8-16-19(17)22-12-21-16/h1-2,6-7,12-13,17,23H,3-5,8-11,20H2,(H,21,22)(H,24,25)
InChIKeyLCAKKBUEUJCVQI-UHFFFAOYSA-N
XLogP2.60
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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
1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine
CID 91455609
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
3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
CID 165423369
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)cyclobutanamine
CID 78991541
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
3-(1H-benzimidazol-2-ylmethylsulfanyl)propan-1-amine
CID 66220038

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine (CID 69294009) is 5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine is NCCCC(Cc1nc2ccccc2[nH]1)NC1CCCc2[nH]cnc21.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine?
The InChIKey is LCAKKBUEUJCVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c20-10-4-5-13(11-18-24-14-6-1-2-7-15(14)25-18)23-17-9-3-8-16-19(17)22-12-21-16/h1-2,6-7,12-13,17,23H,3-5,8-11,20H2,(H,21,22)(H,24,25).
What are the key properties of 5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine?
5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine has a molecular weight of 338.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-4-N-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)pentane-1,4-diamine is sourced from PubChem (CID 69294009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).