N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide

C18H17Cl2N5O2 — CID 11258258

IUPACN-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C18H17Cl2N5O2/c1-10(26)22-17-24-15-5-2-11(8-16(15)25-17)6-7-21-18(27)23-12-3-4-13(19)14(20)9-12/h2-5,8-9H,6-7H2,1H3,(H2,21,23,27)(H2,22,24,25,26)
InChIKeyTVPKYNGLBFIPEN-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.19
Rot. Bonds5

About N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide

N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide (PubChem CID 11258258) has the molecular formula C18H17Cl2N5O2 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
PubChem CID11258258
Molecular FormulaC18H17Cl2N5O2
Molecular Weight406.27 g/mol
Exact Mass405.08
IUPAC NameN-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C18H17Cl2N5O2/c1-10(26)22-17-24-15-5-2-11(8-16(15)25-17)6-7-21-18(27)23-12-3-4-13(19)14(20)9-12/h2-5,8-9H,6-7H2,1H3,(H2,21,23,27)(H2,22,24,25,26)
InChIKeyTVPKYNGLBFIPEN-UHFFFAOYSA-N
XLogP4.19
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide (CID 11258258) is N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)cc2[nH]1.
What is the InChIKey of N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The InChIKey is TVPKYNGLBFIPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2/c1-10(26)22-17-24-15-5-2-11(8-16(15)25-17)6-7-21-18(27)23-12-3-4-13(19)14(20)9-12/h2-5,8-9H,6-7H2,1H3,(H2,21,23,27)(H2,22,24,25,26).
What are the key properties of N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide has a molecular weight of 406.27 g/mol, XLogP of 4.19, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 11258258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).