5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine

C18H22N4 — CID 91332325

IUPAC5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine
SMILESNCCCC(N)C(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H22N4/c19-12-6-9-14(20)17(13-7-2-1-3-8-13)18-21-15-10-4-5-11-16(15)22-18/h1-5,7-8,10-11,14,17H,6,9,12,19-20H2,(H,21,22)
InChIKeyJHKXKEXYSHONHX-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.76
Rot. Bonds6

About 5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine

5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine (PubChem CID 91332325) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine
PubChem CID91332325
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine
SMILESNCCCC(N)C(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H22N4/c19-12-6-9-14(20)17(13-7-2-1-3-8-13)18-21-15-10-4-5-11-16(15)22-18/h1-5,7-8,10-11,14,17H,6,9,12,19-20H2,(H,21,22)
InChIKeyJHKXKEXYSHONHX-UHFFFAOYSA-N
XLogP2.76
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
CID 146180752
(2S,3S)-3-(1H-benzimidazol-2-yl)-1,1,1-trichloro-3-phenylpropan-2-ol
CID 1278594
N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide
CID 166563053
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide
CID 69341417
1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 2771995
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
CID 139651881
(2R)-2,6-diamino-1-(1H-benzimidazol-2-yl)hexan-1-one
CID 173214158
3-(1H-benzimidazol-2-ylmethylsulfanyl)propan-1-amine
CID 66220038
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
bis(1H-benzimidazol-2-yl)methanol
CID 3747179

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine (CID 91332325) is 5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine is NCCCC(N)C(c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine?
The InChIKey is JHKXKEXYSHONHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c19-12-6-9-14(20)17(13-7-2-1-3-8-13)18-21-15-10-4-5-11-16(15)22-18/h1-5,7-8,10-11,14,17H,6,9,12,19-20H2,(H,21,22).
What are the key properties of 5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine?
5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine has a molecular weight of 294.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine is sourced from PubChem (CID 91332325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).