(4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C18H17ClN4O — CID 177021946

IUPAC(4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESCCc1ccc2[nH]c(C(=O)N3CCc4ncccc4C3)nc2c1Cl
InChIInChI=1S/C18H17ClN4O/c1-2-11-5-6-14-16(15(11)19)22-17(21-14)18(24)23-9-7-13-12(10-23)4-3-8-20-13/h3-6,8H,2,7,9-10H2,1H3,(H,21,22)
InChIKeyVNQPHHFTWCWAAC-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.37
Rot. Bonds2

About (4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

(4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 177021946) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is (4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID177021946
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name(4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESCCc1ccc2[nH]c(C(=O)N3CCc4ncccc4C3)nc2c1Cl
InChIInChI=1S/C18H17ClN4O/c1-2-11-5-6-14-16(15(11)19)22-17(21-14)18(24)23-9-7-13-12(10-23)4-3-8-20-13/h3-6,8H,2,7,9-10H2,1H3,(H,21,22)
InChIKeyVNQPHHFTWCWAAC-UHFFFAOYSA-N
XLogP3.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 177021875
(5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 177021891
(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane
CID 177021783
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1H-indazol-5-yl)methanone
CID 166197233
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 64591291
(2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one
CID 93342682
3-chloro-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,2-dimethylpropan-1-one
CID 63680928
N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 175128670
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092

Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 177021946) is (4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is CCc1ccc2[nH]c(C(=O)N3CCc4ncccc4C3)nc2c1Cl.
What is the InChIKey of (4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is VNQPHHFTWCWAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-2-11-5-6-14-16(15(11)19)22-17(21-14)18(24)23-9-7-13-12(10-23)4-3-8-20-13/h3-6,8H,2,7,9-10H2,1H3,(H,21,22).
What are the key properties of (4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 340.81 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 177021946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).