5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine

C19H16ClN5 — CID 118858449

IUPAC5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine
SMILESNc1nc2ccc(NCc3ccc(-c4ccc(Cl)cn4)cc3)cc2[nH]1
InChIInChI=1S/C19H16ClN5/c20-14-5-7-16(23-11-14)13-3-1-12(2-4-13)10-22-15-6-8-17-18(9-15)25-19(21)24-17/h1-9,11,22H,10H2,(H3,21,24,25)
InChIKeyKXYFRDQPFDCPAX-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.47
Rot. Bonds4

About 5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine

5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine (PubChem CID 118858449) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is 5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine.

Molecular Properties

Compound Name5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine
PubChem CID118858449
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine
SMILESNc1nc2ccc(NCc3ccc(-c4ccc(Cl)cn4)cc3)cc2[nH]1
InChIInChI=1S/C19H16ClN5/c20-14-5-7-16(23-11-14)13-3-1-12(2-4-13)10-22-15-6-8-17-18(9-15)25-19(21)24-17/h1-9,11,22H,10H2,(H3,21,24,25)
InChIKeyKXYFRDQPFDCPAX-UHFFFAOYSA-N
XLogP4.47
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine?
The IUPAC name of 5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine (CID 118858449) is 5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine.
What is the SMILES notation for 5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine?
The canonical SMILES for 5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine is Nc1nc2ccc(NCc3ccc(-c4ccc(Cl)cn4)cc3)cc2[nH]1.
What is the InChIKey of 5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine?
The InChIKey is KXYFRDQPFDCPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c20-14-5-7-16(23-11-14)13-3-1-12(2-4-13)10-22-15-6-8-17-18(9-15)25-19(21)24-17/h1-9,11,22H,10H2,(H3,21,24,25).
What are the key properties of 5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine?
5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine has a molecular weight of 349.83 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[4-(5-chloro-2-pyridinyl)phenyl]methyl]-3H-benzimidazole-2,5-diamine is sourced from PubChem (CID 118858449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).