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

C23H21N5 — CID 1124047

IUPACN-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine
SMILESCn1cnc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc21
InChIInChI=1S/C23H21N5/c1-27-16-25-20-13-18(11-12-21(20)27)24-14-23-26-19-9-5-6-10-22(19)28(23)15-17-7-3-2-4-8-17/h2-13,16,24H,14-15H2,1H3
InChIKeyVXOBGVCQSMULMJ-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.58
Rot. Bonds5

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

N-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine (PubChem CID 1124047) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine
PubChem CID1124047
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine
SMILESCn1cnc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc21
InChIInChI=1S/C23H21N5/c1-27-16-25-20-13-18(11-12-21(20)27)24-14-23-26-19-9-5-6-10-22(19)28(23)15-17-7-3-2-4-8-17/h2-13,16,24H,14-15H2,1H3
InChIKeyVXOBGVCQSMULMJ-UHFFFAOYSA-N
XLogP4.58
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.58
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-methylbenzimidazol-5-amine?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine (CID 1124047) is N-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine is Cn1cnc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc21.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine?
The InChIKey is VXOBGVCQSMULMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-27-16-25-20-13-18(11-12-21(20)27)24-14-23-26-19-9-5-6-10-22(19)28(23)15-17-7-3-2-4-8-17/h2-13,16,24H,14-15H2,1H3.
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine?
N-[(1-benzylbenzimidazol-2-yl)methyl]-1-methylbenzimidazol-5-amine has a molecular weight of 367.46 g/mol, XLogP of 4.58, 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-methylbenzimidazol-5-amine is sourced from PubChem (CID 1124047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).