5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine

C20H17Cl2N5 — CID 68735523

IUPAC5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine
SMILESCCCn1c(-c2cnc(-c3ccc(N)nc3)c(Cl)c2)nc2cccc(Cl)c21
InChIInChI=1S/C20H17Cl2N5/c1-2-8-27-19-14(21)4-3-5-16(19)26-20(27)13-9-15(22)18(25-11-13)12-6-7-17(23)24-10-12/h3-7,9-11H,2,8H2,1H3,(H2,23,24)
InChIKeyMYJHSYNFAYYFCJ-UHFFFAOYSA-N
MW398.30 g/mol
LogP5.46
Rot. Bonds4

About 5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine

5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine (PubChem CID 68735523) has the molecular formula C20H17Cl2N5 and a molecular weight of 398.30 g/mol. Its IUPAC name is 5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine
PubChem CID68735523
Molecular FormulaC20H17Cl2N5
Molecular Weight398.30 g/mol
Exact Mass397.09
IUPAC Name5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine
SMILESCCCn1c(-c2cnc(-c3ccc(N)nc3)c(Cl)c2)nc2cccc(Cl)c21
InChIInChI=1S/C20H17Cl2N5/c1-2-8-27-19-14(21)4-3-5-16(19)26-20(27)13-9-15(22)18(25-11-13)12-6-7-17(23)24-10-12/h3-7,9-11H,2,8H2,1H3,(H2,23,24)
InChIKeyMYJHSYNFAYYFCJ-UHFFFAOYSA-N
XLogP5.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole
CID 86629817
2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole
CID 68720916
2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol
CID 136872106
7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole
CID 68721057
5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine
CID 55166004
3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60788262
5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine
CID 63262376
5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 141221179
methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate
CID 68721576
7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole
CID 86629823
3-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 65345825
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine (CID 68735523) is 5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine is CCCn1c(-c2cnc(-c3ccc(N)nc3)c(Cl)c2)nc2cccc(Cl)c21.
What is the InChIKey of 5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is MYJHSYNFAYYFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5/c1-2-8-27-19-14(21)4-3-5-16(19)26-20(27)13-9-15(22)18(25-11-13)12-6-7-17(23)24-10-12/h3-7,9-11H,2,8H2,1H3,(H2,23,24).
What are the key properties of 5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine?
5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 398.30 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 68735523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).