N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine

C19H18ClN5 — CID 141086325

IUPACN'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine
SMILESCNCCNc1c(-c2nc3ccccc3[nH]2)cnc2cc(Cl)ccc12
InChIInChI=1S/C19H18ClN5/c1-21-8-9-22-18-13-7-6-12(20)10-17(13)23-11-14(18)19-24-15-4-2-3-5-16(15)25-19/h2-7,10-11,21H,8-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyHIAIIZDFVIIVHK-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.06
Rot. Bonds5

About N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine

N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine (PubChem CID 141086325) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine
PubChem CID141086325
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC NameN'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine
SMILESCNCCNc1c(-c2nc3ccccc3[nH]2)cnc2cc(Cl)ccc12
InChIInChI=1S/C19H18ClN5/c1-21-8-9-22-18-13-7-6-12(20)10-17(13)23-11-14(18)19-24-15-4-2-3-5-16(15)25-19/h2-7,10-11,21H,8-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyHIAIIZDFVIIVHK-UHFFFAOYSA-N
XLogP4.06
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(1H-benzimidazol-2-yl)-6-bromoquinolin-4-yl]-N-methylethane-1,2-diamine
CID 141086374
3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141086265
N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 154238951
2-[2-(1,6-dichloronaphthalen-2-yl)phenyl]-1H-benzimidazole
CID 134336865
2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 3329340
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-amine
CID 174489954
2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole
CID 58037969
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
CID 135692693
[4-(1H-benzimidazol-2-yl)phenyl]-(2,5-dichlorophenyl)methanone
CID 59165209
2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole
CID 68842824
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine (CID 141086325) is N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine is CNCCNc1c(-c2nc3ccccc3[nH]2)cnc2cc(Cl)ccc12.
What is the InChIKey of N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine?
The InChIKey is HIAIIZDFVIIVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5/c1-21-8-9-22-18-13-7-6-12(20)10-17(13)23-11-14(18)19-24-15-4-2-3-5-16(15)25-19/h2-7,10-11,21H,8-9H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine?
N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine has a molecular weight of 351.84 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 141086325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).