[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine

C22H20N6 — CID 158757236

IUPAC[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine
SMILESNCn1c(-c2ccc(-c3nc4ccccc4n3CN)cc2)nc2ccccc21
InChIInChI=1S/C22H20N6/c23-13-27-19-7-3-1-5-17(19)25-21(27)15-9-11-16(12-10-15)22-26-18-6-2-4-8-20(18)28(22)14-24/h1-12H,13-14,23-24H2
InChIKeyCFTCVYZQWDOQTB-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.55
Rot. Bonds4

About [2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine

[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine (PubChem CID 158757236) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is [2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine.

Molecular Properties

Compound Name[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine
PubChem CID158757236
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine
SMILESNCn1c(-c2ccc(-c3nc4ccccc4n3CN)cc2)nc2ccccc21
InChIInChI=1S/C22H20N6/c23-13-27-19-7-3-1-5-17(19)25-21(27)15-9-11-16(12-10-15)22-26-18-6-2-4-8-20(18)28(22)14-24/h1-12H,13-14,23-24H2
InChIKeyCFTCVYZQWDOQTB-UHFFFAOYSA-N
XLogP3.55
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
CID 10763839
CID 10763839
4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
CID 92629106
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
CID 18878798
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276

Frequently Asked Questions

What is the IUPAC name of [2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine?
The IUPAC name of [2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine (CID 158757236) is [2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine.
What is the SMILES notation for [2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine?
The canonical SMILES for [2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine is NCn1c(-c2ccc(-c3nc4ccccc4n3CN)cc2)nc2ccccc21.
What is the InChIKey of [2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine?
The InChIKey is CFTCVYZQWDOQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c23-13-27-19-7-3-1-5-17(19)25-21(27)15-9-11-16(12-10-15)22-26-18-6-2-4-8-20(18)28(22)14-24/h1-12H,13-14,23-24H2.
What are the key properties of [2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine?
[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine has a molecular weight of 368.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine is sourced from PubChem (CID 158757236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).