N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine

C24H23N5 — CID 659505

IUPACN-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine
SMILESCc1nc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc2n1C
InChIInChI=1S/C24H23N5/c1-17-26-21-14-19(12-13-22(21)28(17)2)25-15-24-27-20-10-6-7-11-23(20)29(24)16-18-8-4-3-5-9-18/h3-14,25H,15-16H2,1-2H3
InChIKeyUWXAGEXYGQYYBP-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.89
Rot. Bonds5

About N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine

N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine (PubChem CID 659505) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine
PubChem CID659505
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine
SMILESCc1nc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc2n1C
InChIInChI=1S/C24H23N5/c1-17-26-21-14-19(12-13-22(21)28(17)2)25-15-24-27-20-10-6-7-11-23(20)29(24)16-18-8-4-3-5-9-18/h3-14,25H,15-16H2,1-2H3
InChIKeyUWXAGEXYGQYYBP-UHFFFAOYSA-N
XLogP4.89
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine (CID 659505) is N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine is Cc1nc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc2n1C.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine?
The InChIKey is UWXAGEXYGQYYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-17-26-21-14-19(12-13-22(21)28(17)2)25-15-24-27-20-10-6-7-11-23(20)29(24)16-18-8-4-3-5-9-18/h3-14,25H,15-16H2,1-2H3.
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine?
N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine has a molecular weight of 381.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylbenzimidazol-2-yl)methyl]-1,2-dimethylbenzimidazol-5-amine is sourced from PubChem (CID 659505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).